[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea

C13H23N5O2 — CID 94176749

IUPAC[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
SMILESNC(=O)NC[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1
InChIInChI=1S/C13H23N5O2/c14-13(20)15-7-11-3-1-5-17(8-11)9-12(19)10-18-6-2-4-16-18/h2,4,6,11-12,19H,1,3,5,7-10H2,(H3,14,15,20)/t11-,12-/m1/s1
InChIKeyZCGIZIWFHCCOKC-VXGBXAGGSA-N
MW281.36 g/mol
LogP-0.38
Rot. Bonds6

About [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea

[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea (PubChem CID 94176749) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
PubChem CID94176749
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
SMILESNC(=O)NC[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1
InChIInChI=1S/C13H23N5O2/c14-13(20)15-7-11-3-1-5-17(8-11)9-12(19)10-18-6-2-4-16-18/h2,4,6,11-12,19H,1,3,5,7-10H2,(H3,14,15,20)/t11-,12-/m1/s1
InChIKeyZCGIZIWFHCCOKC-VXGBXAGGSA-N
XLogP-0.38
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
CID 99819039
N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
CID 94174599
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 52521591
N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95624997
1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 60500592
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
CID 111106203
1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
CID 43584180
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 98798236
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 71926965

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea?
The IUPAC name of [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea (CID 94176749) is [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea.
What is the SMILES notation for [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea?
The canonical SMILES for [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea is NC(=O)NC[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1.
What is the InChIKey of [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea?
The InChIKey is ZCGIZIWFHCCOKC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23N5O2/c14-13(20)15-7-11-3-1-5-17(8-11)9-12(19)10-18-6-2-4-16-18/h2,4,6,11-12,19H,1,3,5,7-10H2,(H3,14,15,20)/t11-,12-/m1/s1.
What are the key properties of [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea?
[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea has a molecular weight of 281.36 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea is sourced from PubChem (CID 94176749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).